Research chemical
CAS Number: 2206660-94-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
169490752
Exact Mass
1639.500225
InChIKey
KPIFKEKRKCVGMU-HQOHQVRUSA-N
IUPAC Name
4-[(2E)-2-[(2E)-2-[2-[4-[(2S)-2-carboxy-2-[[(2S)-2-[3-[2-[2-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]ethyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate
SMILES String
CC1(C)C(/C=C\C2=C(Oc3ccc(C[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)CCOCCOCCNC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)/C(=C/C=C3\N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)O)cc21
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Zopocianine is identified by CAS 2206660-94-6, with molecular formula C74H93N7O27S4, molecular weight 1640.8, InChIKey KPIFKEKRKCVGMU-HQOHQVRUSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
112
H-bond acceptors
34
H-bond donors
12
Rotatable bonds
44
Ring count
7
Aromatic rings
4
Topological polar surface area
531.88 Ų
Computed LogP
5.46
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Zopocianine (CAS 2206660-94-6) is maintained as a commercial cas reference with formula C74H93N7O27S4, molecular weight 1640. 80 g/mol, PubChem CID 169490752.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.